N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzamide Traditional Name: 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]-N-piperonyl-benzamide Formula: C23H19N3O3S2 MolecularWeight: 449.54526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SC3=CC=CC=C3C(=O)NCC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SC3=CC=CC=C3C(=O)NCC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C23H19N3O3S2/c1-13-14(2)30-22-20(13)23(26-11-25-22)31-19-6-4-3-5-16(19)21(27)24-10-15-7-8-17-18(9-15)29-12-28-17/h3-9,11H,10,12H2,1-2H3,(H,24,27)